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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=882",
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"results": [
{
"id": "jvasp-116883",
"created_at": "2022-09-04T14:38:44.826700Z",
"updated_at": "2022-09-04T14:38:44.826725Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n5.782074 -0.063117 0.247162\n1.020904 6.160308 1.474202\n-0.204495 -0.133242 9.336016\nLi V Si O\n4 4 4 16\ndirect\n0.592886 0.877744 0.751827 Li\n0.440557 0.661782 0.331174 Li\n0.559441 0.338218 0.668826 Li\n0.407112 0.122257 0.248173 Li\n0.986041 0.927642 0.294353 V\n0.813195 0.635550 0.076577 V\n0.186803 0.364450 0.923423 V\n0.013957 0.072358 0.705648 V\n0.847392 0.290712 0.382148 Si\n0.714897 0.167227 0.992662 Si\n0.285101 0.832773 0.007338 Si\n0.152606 0.709288 0.617852 Si\n0.103541 0.182452 0.326833 O\n0.186127 0.059982 0.890183 O\n0.885158 0.347391 0.009774 O\n0.839516 0.302110 0.555883 O\n0.710739 0.138291 0.824207 O\n0.247399 0.464215 0.716575 O\n0.752598 0.535785 0.283425 O\n0.304363 0.892258 0.650090 O\n0.160482 0.697890 0.444117 O\n0.114840 0.652609 0.990226 O\n0.813871 0.940018 0.109817 O\n0.896457 0.817548 0.673167 O\n0.695635 0.107743 0.349910 O\n0.544505 0.733624 0.955785 O\n0.289259 0.861709 0.175793 O\n0.455493 0.266377 0.044216 O\n",
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"O"
],
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"density_atomic": 0.08368776578014697,
"volume": 334.5769807448052,
"volume_molar": 7.195963118217953,
"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-117441",
"created_at": "2022-09-04T14:38:26.453392Z",
"updated_at": "2022-09-04T14:38:26.453418Z",
"structure_string": "Li4 Mn1 F7\n1.0\n5.087941 -0.000000 2.937524\n1.695980 4.796957 2.937524\n-0.000000 -0.000000 5.875048\nLi Mn F\n4 1 7\ndirect\n0.879053 0.373649 0.373648 Li\n0.373649 0.879054 0.373648 Li\n0.373649 0.373649 0.373649 Li\n0.373649 0.373649 0.879053 Li\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 F\n0.763595 0.763596 0.236403 F\n0.236404 0.763596 0.763595 F\n0.763596 0.236404 0.763595 F\n0.763596 0.236404 0.236404 F\n0.236404 0.763596 0.236403 F\n0.236404 0.236404 0.763596 F\n",
"nsites": 12,
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"elements": [
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"Mn",
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],
"chemical_system": "F-Li-Mn",
"density": 2.497822326553552,
"density_atomic": 0.08368775830241452,
"volume": 143.39014741722124,
"volume_molar": 7.19596376119714,
"formula_full": "Li4 Mn1 F7",
"formula_reduced": "Li4MnF7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 0.3641274349066092,
"spacegroup": 216
},
{
"id": "jvasp-8661",
"created_at": "2022-09-04T14:37:06.373732Z",
"updated_at": "2022-09-04T14:37:06.373759Z",
"structure_string": "Li5 B4\n1.0\n4.766254 0.229172 0.229172\n0.229172 4.766254 0.229172\n0.229172 0.229172 4.766254\nLi B\n5 4\ndirect\n0.289566 0.721409 0.289566 Li\n0.289566 0.289566 0.721409 Li\n0.721409 0.289566 0.289566 Li\n0.210716 0.210716 0.210716 Li\n0.688825 0.688825 0.688825 Li\n0.779584 0.191112 0.779584 B\n0.779584 0.779584 0.191112 B\n0.191112 0.779584 0.779584 B\n0.974632 0.974632 0.974632 B\n",
"nsites": 9,
"nelements": 2,
"elements": [
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"B"
],
"chemical_system": "B-Li",
"density": 1.203520545905138,
"density_atomic": 0.08368283266940833,
"volume": 107.54894059997686,
"volume_molar": 7.196387320910439,
"formula_full": "Li5 B4",
"formula_reduced": "Li5B4",
"formula_anonymous": "A4B5",
"energy_above_hull": 2.857125592592592,
"spacegroup": 160
},
{
"id": "jvasp-103746",
"created_at": "2022-09-04T14:36:53.240568Z",
"updated_at": "2022-09-04T14:36:53.240590Z",
"structure_string": "Al1 Fe1 F5\n1.0\n4.984451 -0.009568 -1.443887\n-0.918467 3.229785 -3.956584\n-0.009683 0.009568 5.189361\nAl Fe F\n1 1 5\ndirect\n0.499999 0.499999 -0.000001 Al\n0.000000 0.000000 0.000000 Fe\n0.793901 0.499999 0.293900 F\n0.206099 0.500000 0.706099 F\n0.258266 0.258266 -0.000000 F\n0.741733 0.741732 -0.000001 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 7,
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"elements": [
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"Fe",
"F"
],
"chemical_system": "Al-F-Fe",
"density": 3.5297874225874266,
"density_atomic": 0.08367975848641562,
"volume": 83.65224908167444,
"volume_molar": 7.19665169800606,
"formula_full": "Al1 Fe1 F5",
"formula_reduced": "AlFeF5",
"formula_anonymous": "ABC5",
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"spacegroup": 71
},
{
"id": "jvasp-74524",
"created_at": "2022-09-04T14:35:52.273738Z",
"updated_at": "2022-09-04T14:35:52.273753Z",
"structure_string": "Be2 Ga1 W1\n1.0\n1.706281 4.468261 0.041854\n-1.706238 4.468249 0.041858\n-0.000000 1.254714 3.146724\nBe Ga W\n2 1 1\ndirect\n0.996894 0.996888 0.003109 Be\n0.755486 0.755523 0.744494 Be\n0.499523 0.499462 0.500508 Ga\n0.248096 0.248130 0.251885 W\n",
"nsites": 4,
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"elements": [
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"Ga",
"W"
],
"chemical_system": "Be-Ga-W",
"density": 9.434353840595,
"density_atomic": 0.08367842449009336,
"volume": 47.8020472346914,
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"formula_full": "Be2 Ga1 W1",
"formula_reduced": "Be2GaW",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-57503",
"created_at": "2022-09-04T14:37:10.339498Z",
"updated_at": "2022-09-04T14:37:10.339518Z",
"structure_string": "Co3 C2 Se2 O10\n1.0\n5.608147 -0.065497 -0.053364\n-1.885562 5.282485 0.040607\n-2.718128 -1.980386 6.903826\nCo C Se O\n3 2 2 10\ndirect\n0.988829 0.190034 0.178854 Co\n0.011172 0.809966 0.821148 Co\n0.500001 0.500000 0.000001 Co\n0.108937 0.457760 0.566628 C\n0.891064 0.542241 0.433374 C\n0.574932 0.157781 0.732698 Se\n0.425070 0.842219 0.267304 Se\n0.727912 0.501043 0.846058 O\n0.803472 0.447403 0.250951 O\n0.272089 0.498957 0.153943 O\n0.816718 0.057782 0.874595 O\n0.183284 0.942218 0.125407 O\n0.344919 0.118153 0.845973 O\n0.196530 0.552597 0.749051 O\n0.818820 0.695754 0.514738 O\n0.181181 0.304246 0.485263 O\n0.655083 0.881847 0.154028 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Co",
"C",
"Se",
"O"
],
"chemical_system": "C-Co-O-Se",
"density": 4.239790458583822,
"density_atomic": 0.08367556972014223,
"volume": 203.16563193841978,
"volume_molar": 7.197011959573621,
"formula_full": "Co3 C2 Se2 O10",
"formula_reduced": "Co3C2(SeO5)2",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 3.54305555490196,
"spacegroup": 12
},
{
"id": "jvasp-51323",
"created_at": "2022-09-04T14:36:30.888576Z",
"updated_at": "2022-09-04T14:36:30.888587Z",
"structure_string": "B2 Ir1 Cl1\n1.0\n-0.000002 2.880562 2.880565\n2.880570 -0.000008 2.880573\n2.880564 2.880563 -0.000002\nB Ir Cl\n2 1 1\ndirect\n0.750000 0.750001 0.749998 B\n0.250000 0.250001 0.249999 B\n0.500000 0.500001 0.499999 Ir\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"Ir",
"Cl"
],
"chemical_system": "B-Cl-Ir",
"density": 8.659503114299712,
"density_atomic": 0.0836749621873028,
"volume": 47.80402518791908,
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"formula_full": "B2 Ir1 Cl1",
"formula_reduced": "B2IrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.888920083541666,
"spacegroup": 225
},
{
"id": "jvasp-74420",
"created_at": "2022-09-04T14:36:19.600139Z",
"updated_at": "2022-09-04T14:36:19.600169Z",
"structure_string": "Be2 Cd1 Fe1\n1.0\n-1.716168 1.716168 4.057752\n1.716168 -1.716168 4.057752\n1.716168 1.716168 -4.057752\nBe Cd Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500001 Be\n0.500000 0.500000 0.000000 Cd\n0.750000 0.250000 0.500001 Fe\n",
"nsites": 4,
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"elements": [
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"Cd",
"Fe"
],
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"density": 6.470697300835621,
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"volume": 47.80409396102057,
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"formula_full": "Be2 Cd1 Fe1",
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},
{
"id": "jvasp-71797",
"created_at": "2022-09-04T14:35:56.574498Z",
"updated_at": "2022-09-04T14:35:56.574513Z",
"structure_string": "Li2 Be1 Re1\n1.0\n-1.641943 1.641943 4.432973\n1.641943 -1.641943 4.432973\n1.641943 1.641943 -4.432973\nLi Be Re\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.749999 0.250000 0.499999 Be\n0.250000 0.749999 0.499999 Re\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.263306226529484,
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"volume": 47.80476972249921,
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"formula_full": "Li2 Be1 Re1",
"formula_reduced": "Li2BeRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.609221025,
"spacegroup": 139
},
{
"id": "jvasp-121107",
"created_at": "2022-09-04T14:38:54.484166Z",
"updated_at": "2022-09-04T14:38:54.484191Z",
"structure_string": "Hf1 Zn1 O4\n1.0\n3.346348 -3.352943 0.000000\n3.346348 3.352943 0.000000\n0.000000 0.000000 3.195510\nHf Zn O\n1 1 4\ndirect\n0.500001 0.500001 0.499999 Hf\n0.000000 0.000000 0.000000 Zn\n0.191081 0.191081 0.499999 O\n0.696268 0.303733 0.000000 O\n0.303733 0.696268 0.000000 O\n0.808920 0.808920 0.499999 O\n",
"nsites": 6,
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"volume": 71.70797362921216,
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"formula_full": "Hf1 Zn1 O4",
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"formula_anonymous": "ABC4",
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"spacegroup": 65
},
{
"id": "jvasp-19072",
"created_at": "2022-09-04T14:37:03.170028Z",
"updated_at": "2022-09-04T14:37:03.170048Z",
"structure_string": "Na4 Zn4 F12\n1.0\n5.419848 -0.000000 0.000000\n0.000000 5.647832 0.000000\n0.000000 0.000000 7.808711\nNa Zn F\n4 4 12\ndirect\n0.017744 0.938298 0.750000 Na\n0.517744 0.561701 0.250000 Na\n0.482257 0.438298 0.750000 Na\n0.982257 0.061701 0.250000 Na\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.612300 0.042114 0.750000 F\n0.112300 0.457886 0.250000 F\n0.693385 0.301703 0.058507 F\n0.193384 0.198297 0.941493 F\n0.806616 0.801702 0.441493 F\n0.193384 0.198297 0.558507 F\n0.306616 0.698297 0.941493 F\n0.806616 0.801702 0.058507 F\n0.387700 0.957886 0.250000 F\n0.693385 0.301703 0.441493 F\n0.306616 0.698297 0.558507 F\n0.887700 0.542114 0.750000 F\n",
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],
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"volume": 239.02769667811643,
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"formula_full": "Na4 Zn4 F12",
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},
{
"id": "jvasp-119267",
"created_at": "2022-09-04T14:38:46.979799Z",
"updated_at": "2022-09-04T14:38:46.979830Z",
"structure_string": "Mn4 O2 F8\n1.0\n2.996890 -0.350087 -0.000513\n-2.235947 5.028391 -0.000126\n0.002410 0.001283 11.711808\nMn O F\n4 2 8\ndirect\n-0.104976 0.118296 0.206812 Mn\n0.212456 0.469006 0.903576 Mn\n0.787578 0.530996 0.403578 Mn\n0.104975 0.881714 0.706818 Mn\n0.407928 0.671589 0.764153 O\n0.592060 0.328404 0.264153 O\n0.042243 0.284651 0.045925 F\n0.043400 0.300377 0.452671 F\n0.177656 0.885042 0.157970 F\n0.575248 0.789562 0.346212 F\n0.424750 0.210419 0.846209 F\n0.822328 0.114952 0.657970 F\n0.957791 0.715362 0.545926 F\n0.956627 0.699620 0.952674 F\n",
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"formula_full": "Mn4 O2 F8",
"formula_reduced": "Mn2OF4",
"formula_anonymous": "AB2C4",
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}
]
}